6,7-dimethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenolate
Molecular Formula:
C
17
H
18
N
4
O
9
InChI:
InChI=1/C11H15NO2.C6H3N3O7/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,12H,3-4,7H2,1-2H3;1-2,10H/fC11H16NO2.C6H2N3O7/h12H;10h/q+1;-1
InChIKey:
InChIKey=SZTRRPSKJDGDCZ-AWAXBZQECX
SMILES:
COC1=C(C=C2C[NH2+]CCC2=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Names:
6,7-dimethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenolate
Registries:
PubChem CID 2752198
PubChem ID 11564031
